SCHEMBL23809362

SCHEMBL23809362

CCn1cc(C(C)C)c2ccc(C(=O)O)cc21

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.67
EDNRA P25101 5/20 0.50
EDNRB P24530 4/20 0.50
ACE2 Q9BYF1 4/20 0.48
KDM4E B2RXH2 1/20 0.40
HCAR3 P49019 2/20 0.40
B3GNT2 Q9NY97 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11975017 0.81 SLC22A12 (1.00) SLC22A12ACE2
SCHEMBL27679944 0.81 SLC22A12 (0.50) SLC22A12KDM4EHCAR3POLBNPSR1
SCHEMBL27764791 0.79 SLC22A12 (0.49) SLC22A12EDNRAEDNRBKDM4EHCAR3
SCHEMBL23809209 0.79 SLC22A12 (0.56) SLC22A12
SCHEMBL23809463 0.78 SLC22A12 (0.52) SLC22A12ACE2KDM4EHCAR3
SCHEMBL984612 0.76 STAT3 (0.48) SLC22A12MAPT
SCHEMBL18993212 0.76 CYP19A1 (0.42) SLC22A12
SCHEMBL23809523 0.74 SLC22A12 (0.51) SLC22A12ACE2KDM4EHCAR3
SCHEMBL18705804 0.74 SLC22A12 (0.46) SLC22A12KDM4EHCAR3POLB
SCHEMBL23809482 0.72 SLC22A12 (0.49) SLC22A12ACE2KDM4EHCAR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 SLC22A12 3136/4885EDNRA 3551/4885EDNRB 3653/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.